Record Information |
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Version | 1.0 |
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Created at | 2022-09-08 05:54:22 UTC |
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Updated at | 2022-09-08 05:54:22 UTC |
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NP-MRD ID | NP0262896 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1r,3as,3bs,5ar,7s,10s,11ar)-1-[(2r)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-10-(hydroxymethyl)-3a,6,6,11a-tetramethyl-7-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-1h,3h,3bh,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-2-one |
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Description | Podocarpaside belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. (1r,3as,3bs,5ar,7s,10s,11ar)-1-[(2r)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-10-(hydroxymethyl)-3a,6,6,11a-tetramethyl-7-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-1h,3h,3bh,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-2-one is found in Actaea podocarpa. Based on a literature review very few articles have been published on Podocarpaside. |
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Structure | C[C@H](CC(=O)CC(C)(C)O)[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)C4(C)C)=C3[C@@H](CO)C[C@]12C InChI=1S/C35H56O9/c1-18(12-20(37)14-32(2,3)42)28-24(38)15-34(6)23-10-9-22-21(27(23)19(16-36)13-35(28,34)7)8-11-26(33(22,4)5)44-31-30(41)29(40)25(39)17-43-31/h18-19,22-23,25-26,28-31,36,39-42H,8-17H2,1-7H3/t18-,19-,22-,23-,25+,26+,28+,29+,30-,31+,34+,35-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C35H56O9 |
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Average Mass | 620.8240 Da |
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Monoisotopic Mass | 620.39243 Da |
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IUPAC Name | (5S,7R,10S,11S,14R,15R,17S)-14-[(2R)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-17-(hydroxymethyl)-6,6,11,15-tetramethyl-5-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1-en-13-one |
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Traditional Name | (5S,7R,10S,11S,14R,15R,17S)-14-[(2R)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-17-(hydroxymethyl)-6,6,11,15-tetramethyl-5-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1-en-13-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@H](CC(=O)CC(C)(C)O)[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)C4(C)C)=C3[C@@H](CO)C[C@]12C |
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InChI Identifier | InChI=1S/C35H56O9/c1-18(12-20(37)14-32(2,3)42)28-24(38)15-34(6)23-10-9-22-21(27(23)19(16-36)13-35(28,34)7)8-11-26(33(22,4)5)44-31-30(41)29(40)25(39)17-43-31/h18-19,22-23,25-26,28-31,36,39-42H,8-17H2,1-7H3/t18-,19-,22-,23-,25+,26+,28+,29+,30-,31+,34+,35-/m1/s1 |
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InChI Key | SOJXOLPPPQOURQ-JGCGOTIHSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Steroidal glycosides |
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Direct Parent | Steroidal glycosides |
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Alternative Parents | |
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Substituents | - Steroidal glycoside
- 25-hydroxysteroid
- Sesterterpenoid
- 23-oxosteroid
- 16-oxosteroid
- Oxosteroid
- 14-alpha-methylsteroid
- Glycosyl compound
- O-glycosyl compound
- Beta-hydroxy ketone
- Monosaccharide
- Oxane
- Tertiary alcohol
- Cyclic ketone
- Secondary alcohol
- Ketone
- Polyol
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Organic oxide
- Alcohol
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Primary alcohol
- Aldehyde
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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